CID 56603735

Ep-01492

Structural Information

Molecular Formula
C31H38N4O3
SMILES
CC(C)(C/C=C/C(=O)N(C)[C@H](CC1=CC2=CC=CC=C2C=C1)C(=O)N(C)[C@H](C3=CC=CC=C3)C(=O)NC)N
InChI
InChI=1S/C31H38N4O3/c1-31(2,32)19-11-16-27(36)34(4)26(21-22-17-18-23-12-9-10-15-25(23)20-22)30(38)35(5)28(29(37)33-3)24-13-7-6-8-14-24/h6-18,20,26,28H,19,21,32H2,1-5H3,(H,33,37)/b16-11+/t26-,28-/m1/s1
InChIKey
DPTDDSCCZNKDBZ-JABCAPRSSA-N
Compound name
(E)-5-amino-N,5-dimethyl-N-[(2R)-1-[methyl-[(1R)-2-(methylamino)-2-oxo-1-phenylethyl]amino]-3-naphthalen-2-yl-1-oxopropan-2-yl]hex-2-enamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

514.2944 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 515.30168 229.3
[M+Na]+ 537.28362 227.0
[M-H]- 513.28712 236.4
[M+NH4]+ 532.32822 234.8
[M+K]+ 553.25756 225.7
[M+H-H2O]+ 497.29166 218.8
[M+HCOO]- 559.29260 246.6
[M+CH3COO]- 573.30825 262.3
[M+Na-2H]- 535.26907 226.4
[M]+ 514.29385 229.6
[M]- 514.29495 229.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.